SCHEMBL23399358

SCHEMBL23399358

Cc1ccccc1-c1cc(=O)n(C(C)(C)C)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 3/20 0.46
NPC1 O15118 2/20 0.46
MAPT P10636 5/20 0.41
SMN1; SMN2 Q16637 3/20 0.41
HPGD P15428 3/20 0.41
ALOX15 P16050 3/20 0.41
USP2 O75604 2/20 0.41
TSHR P16473 1/20 0.41
NFKB1 P19838 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
LMNA P02545 3/20 0.40
HTT P42858 1/20 0.40
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
TP53 P04637 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
GLA P06280 1/20 0.38

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17290637 0.78 RAB9A (0.49) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23401806 0.78 MEN1 (0.50) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23402031 0.74 MAPT (0.46) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23399638 0.74 MAPT (0.51) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23399375 0.74 MEN1 (0.47) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23399372 0.74 RAB9A (0.46) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23403053 0.73 MEN1 (0.42) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23398758 0.73 MEN1 (0.48) RAB9ANPC1HPGDMEN1KMT2A
SCHEMBL23400365 0.72 MAPT (0.46) RAB9ANPC1MAPTSMN1; SMN2HPGD
SCHEMBL23403121 0.71 MAPT (0.47) RAB9ANPC1MAPTSMN1; SMN2LMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3828159-A1 STORAGE AND TRANSPORT STABILIZERS FOR POLYMERIZABLE COMPOUNDS BASF SE (DE) 2021-06-02 EP disclosed